Geometry & MOs

Info

ID:

328006

PubChem CID:

126691713

Reduced:

O3N4F6C33H34 (1)

Stoich.:

A3B4C6D33E34 (1)

Weight, g/mol:

769.194672

ΔHf, kcal/mol:

-370.33

Dipole, Da:

6.28

IP(EA), eV:

 -8.85(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[5-[4-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)C4CCCCC4)OC)N5CCC5)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations